COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.359   0.337  -0.127  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.674  -0.588  -0.248  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.997  -1.709  -0.557  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.154  -0.556  -0.156  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.801   0.647   0.057  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.202   0.673   0.137  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.972   0.678   0.288  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.333  -0.506   0.079  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.886  -1.747  -0.292  1.00  0.00           C  
HETATM   10  C   UNL     1       6.797   0.119   0.008  1.00  0.00           C  
HETATM   11  C   UNL     1       5.360   0.434   0.026  1.00  0.00           C  
HETATM   12  C   UNL     1       4.899   1.644  -0.505  1.00  0.00           C  
HETATM   13  C   UNL     1       3.566   1.935  -0.488  1.00  0.00           C  
HETATM   14  C   UNL     1       2.655   1.032   0.056  1.00  0.00           C  
HETATM   15  C   UNL     1       3.096  -0.174   0.587  1.00  0.00           C  
HETATM   16  C   UNL     1       4.445  -0.482   0.571  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.896   1.876   0.352  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.256   1.865   0.424  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.931  -0.536  -0.002  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.241  -1.744  -0.213  1.00  0.00           C  
HETATM   21  N   UNL     1       1.298   1.339   0.068  1.00  0.00           N  
HETATM   22  N   UNL     1      -0.926   0.483  -0.021  1.00  0.00           N  
HETATM   23  O   UNL     1       7.195  -0.932   0.470  1.00  0.00           O  
HETATM   24  O   UNL     1       7.673   0.998  -0.520  1.00  0.00           O  
HETATM   25  O   UNL     1       4.882  -1.660   1.083  1.00  0.00           O  
HETATM   26  S   UNL     1       0.724  -1.329  -0.563  1.00  0.00           S  
HETATM   27  H   UNL     1      -1.433  -2.675  -0.765  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.233   1.560   0.161  1.00  0.00           H  
HETATM   29  H   UNL     1      -9.050   0.697   0.349  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.902  -1.418  -0.024  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.364  -2.677  -0.463  1.00  0.00           H  
HETATM   32  H   UNL     1       5.600   2.349  -0.929  1.00  0.00           H  
HETATM   33  H   UNL     1       3.216   2.870  -0.899  1.00  0.00           H  
HETATM   34  H   UNL     1       2.387  -0.871   1.009  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.354   2.804   0.460  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.787   2.791   0.590  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.791  -2.668  -0.319  1.00  0.00           H  
HETATM   38  H   UNL     1       1.008   2.253   0.212  1.00  0.00           H  
HETATM   39  H   UNL     1       8.606   0.747  -0.509  1.00  0.00           H  
HETATM   40  H   UNL     1       5.101  -1.622   2.024  1.00  0.00           H  
CONECT    1   22   22   21   26                                       
CONECT    2    4   22    3    3                                       
CONECT    3    2    2   26   27                                       
CONECT    4    5    5    9    2                                       
CONECT    5    6    4    4   28                                       
CONECT    6   17   17   19    5                                       
CONECT    7   18   18    8   29                                       
CONECT    8    7   19   19   30                                       
CONECT    9   20   20    4   31                                       
CONECT   10   23   23   24   11                                       
CONECT   11   10   16   16   12                                       
CONECT   12   11   13   13   32                                       
CONECT   13   12   12   14   33                                       
CONECT   14   15   15   13   21                                       
CONECT   15   16   14   14   34                                       
CONECT   16   25   11   11   15                                       
CONECT   17   18    6    6   35                                       
CONECT   18    7    7   17   36                                       
CONECT   19    8    8    6   20                                       
CONECT   20   19    9    9   37                                       
CONECT   21   14    1   38                                            
CONECT   22    2    1    1                                            
CONECT   23   10   10                                                 
CONECT   24   10   39                                                 
CONECT   25   16   40                                                 
CONECT   26    1    3                                                 
CONECT   27    3                                                      
CONECT   28    5                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   15                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
CONECT   39   24                                                      
CONECT   40   25                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
